| CAS Number | 474955-66-3 |
| Catalog Number | AG01A7Z9(AGN-PC-0WOQFI) |
| Chemical Name | 7-Bromo-2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride |
| IUPAC Name | 6-bromo-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride |
| InChI | InChI=1S/C8H6BrClO4S/c9-5-3-6-7(14-2-1-13-6)4-8(5)15(10,11)12/h3-4H,1-2H2 |
| InChI Key | JIWVNVJZJUBFFF-UHFFFAOYSA-N |
| MDL Number | MFCD09741409 |
| Molecular Formula | C8H6BrClO4S |
| Molecular Weight | 313.5528 |
| SMILES | ClS(C1=C(Br)C=C2C(OCCO2)=C1)(=O)=O |
| Synonyms | 7-bromo-2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride,
474955-66-3,
AC1Q3VJF,
CTK5I6546,
AKOS000151211,
ZINC100566176,
NE20021,
EN300-60253,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.886g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.546g/mol |
| Monoisotopic Mass | 311.886g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number